Computational Resources:

The NMR facility has a variety of computers and workstations to assist in data processing, spin-simulations, dynamic-NMR simulations, and molecular modeling applications.

• Multiple Sun-Blade 100, 150, & 1500 Workstations running Sun Solaris 8/9.
  • These workstations are used for offline data processing and plotting of NMR spectra using Varian's VNMR 6.1C software.
  • Varian licensed software is also available for Diffusion/DOSY analysis and for Solid-State NMR simulations using the "STARS" package.
• Gateway Pentium IV PC with 200GB Hard Drive, 2GB RAM, and multi-format removable storage (CD-R, DVD+/-R, RW).
  • Used for basic backup and archiving of NMR data
  • Loaded with ACD-Labs NMR prediction Software (v.6.0) for 1H & 13C NMR prediction, including the processing package for assisted assignment of NMR spectra
  • Loaded with Wavefunction, Inc. Spartan 2004 software for basic and high-level molecular structure & dynamics calculations.
  • NMR processing packages are available for data processing, spin-simulation, and dynamic NMR calculations. Software includes:
    • Nuts, by Acorn NMR, Inc.
    • SpinWorks 2.5.4, by Kirk Marat, University of Manitoba.
    • MestReNova: We have a UCB site-license, and this software runs on Mac, Windows, or LINUX
      • See Rich Shoemaker for information about activating MestReNova on your own computer.
  • A Kyocera FS9520 high-capacity laser printer, capable of printing up to 55 pages per minut, is fully networked within the facility. This printer has 8.5x11" (letter) and 11x17" (tabloid) paper available.